(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

Details

• Internal ID: 0e17e653-3973-4135-96ac-3da9f929f4cc
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolyl carboxylic acids and derivatives
• IUPAC Name: 2-(2-oxo-1,3-dihydroindol-3-yl)acetic acid
• SMILES (Canonical): C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)O
• SMILES (Isomeric): C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)O
• InChI: InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)
• InChI Key: ILGMGHZPXRDCCS-UHFFFAOYSA-N
• Popularity: 120 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18 g/mol
• Exact Mass: 191.058243149 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: 0.30

Synonyms

• (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
• 2-(2-oxoindolin-3-yl)acetic acid
• 2-Oxindole-3-acetic acid
• oxindole-3-acetic acid
• 2-(2-oxo-1,3-dihydroindol-3-yl)acetic acid
• 1H-Indole-3-acetic acid, 2,3-dihydro-2-oxo-
• (2-Oxo-2,3-dihydro-1H-indol-3-yl)-acetic acid
• 2-(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
• MFCD09035909
• 2-oxindole-3-acetate
• 2-oxoindole-3-acetate
• 2-indolinone-3-acetate
• 2-oxoindole-3-acetic acid
• 2-oxindole-3-aceticacid
• 2-oxindol-3-yl-acetic acid
• CHEMBL443641
• SCHEMBL1302976
• DTXSID30952164
• CHEBI:133221
• 2-(2-oxoindolin-3-yl)aceticacid
• (2-Hydroxy-3H-indol-3-yl)acetato
• 2-(2-Oxo-3-indolinyl)acetic acid
• 2-Hydroxy-1H-indole-3-acetic acid
• AKOS000506116
• AKOS016345720
• AB49450
• LS-03835
• 2-(2-oxo-1,3-dihydroindol-3-yl)acetate
• AM20040124
• CS-0131902
• FT-0683524
• 1H-Indole-3-aceticacid,2,3-dihydro-2-oxo-
• EN300-59490
• C22202
• F10191
• xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid
• J-017610
• Z336080924
• (2-Oxo-2,3-dihydro-1H-indol-3-yl)acetic acid, AldrichCPR

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.79%	91.11%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	95.27%	94.62%
CHEMBL2581	P07339	Cathepsin D	95.06%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.92%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.84%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.79%	85.14%
CHEMBL221	P23219	Cyclooxygenase-1	85.31%	90.17%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	82.28%	94.08%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	81.52%	94.23%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.03%	99.23%

Plants that contains it

• Arabidopsis thaliana
• Pinus sylvestris
• Solanum lycopersicum
• Zea mays

Cross-Links

• PubChem: 3080590
• LOTUS: LTS0094655
• wikiData: Q82930683